Results for:
PubChem ID: 8499

Methyl 4-methoxybenzoate

Mass-Spectra

Compound Details

Synonymous names	METHYL 4-METHOXYBENZOATE 121-98-2 Methyl p-anisate Methyl anisate Methyl p-methoxybenzoate Benzoic acid, 4-methoxy-, methyl ester Methyl 4-Anisate 4-Methoxybenzoic acid methyl ester p-Anisic acid, methyl ester p-Methoxybenzoic acid methyl ester p-Anisic acid methyl ester FEMA No. 2679 Benzoic acid, p-methoxy-, methyl ester NSC 7324 NSC7324 4-methoxy methylbenzoate NSC-7324 CHEMBL1762668 DTXSID7047645 CHEBI:86903 2MFL7873W9 4-methoxy-benzoic acid methyl ester Methyl ester of p-Methoxybenzoic acid MFCD00008437 methyl4-methoxybenzoate methyl P-methoxy benzoate EINECS 204-513-2 anisate BRN 2208571 UNII-2MFL7873W9 AI3-00229 Methyl-p-anisate FEMA 2679 Methyl p-anisate, 99% bmse010016 WLN: 1OVR DO1 METHYL ANISATE [FHFI] SCHEMBL231243 F1335-0002 METHYL-4-METHOXYBENZOATE DTXCID5027645 Methyl p-anisate, >=99%, FG NSC7324NSC 7324 Tox21_302682 AC7521 BDBM50340087 STK041805 AKOS000501135 AC-7084 CS-W016058 HY-W015342 MCULE-7764530900 NCGC00256751-01 CAS-121-98-2 DS-13900 SY003911 Methyl p-anisate, >=99% (capillary GC) DB-012814 A1125 AM20050128 NS00012845 EN300-107567 AQ-917/40232598 METHYL SALICYLATE IMPURITY D [EP IMPURITY] Q6823933 W-108443 Z19787338 InChI=1/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H
Microorganism:	Yes
IUPAC name	methyl 4-methoxybenzoate
SMILES	COC1=CC=C(C=C1)C(=O)OC
Inchi	InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
Formula	C9H10O3
PubChem ID	8499
Molweight	166.17
LogP	2.3
Atoms	12
Bonds	3
H-bond Acceptor	3
H-bond Donor	0
Chemical Classification	benzenoids esters ethers aromatic compounds
CHEBI-ID	86903
Supernatural-ID	SN0062780

mVOC Specific Details

Boiling Point	Degree Reference 244 median
MS-Links	MS-MS Spectrum 134024 MS-MS Spectrum 134022 MS-MS Spectrum 47953 MS-MS Spectrum 47954 MS-MS Spectrum 134023 MS-MS Spectrum 47952
Massbank-Links	Massbank Spectrum MSBNK-EPA-ENTACT_AGILENT002481 Massbank Spectrum MSBNK-EPA-ENTACT_AGILENT002482 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002221 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008509 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP011431

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Mycobacterium Bovis NA NA Syhre and Chambers 2008 Prokaryota Mycobacterium Tuberculosis NA NA Syhre and Chambers 2008 Eukaryota Lentinellus Cochleatus NA Rapior et al. 2002 Prokaryota Chondromyces Crocatus n/a Respiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand) Schulz and Dickschat 2007 Prokaryota Chondromyces Crocatus n/a Respiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand) Dickschat et al. 2005_6 Prokaryota Mycobacterium Tuberculosis n/a Respiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand) Syhre et al. 2008 Prokaryota Chondromyces Crocatus n/a NA Dickschat et al. 2005_6 Eukaryota Piptoporus Betulinus na Sachsenwald near Hamburg Rösecke et al. 2000 Eukaryota Trametes Suaveolens na near Zachersmühle, Göppingen, southern Germany Rösecke et al. 2000

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Mycobacterium Bovis sheep blood agar SPME/GC-MS no Prokaryota Mycobacterium Tuberculosis LG + glycerol SPME/GC-MS no Prokaryota Mycobacterium Bovis BacT/Alert® MP SPME/GC-MS no Prokaryota Mycobacterium Bovis LG + glycerol SPME/GC-MS no Prokaryota Mycobacterium Tuberculosis sheep blood agar SPME/GC-MS no Prokaryota Mycobacterium Tuberculosis BacT/Alert® MP SPME/GC-MS no Eukaryota Lentinellus Cochleatus hydro-destillation, solvent extraction, GC-MS no Prokaryota Chondromyces Crocatus Loewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MP Solid phase micro-extraction (SPME), GC/MS-MS no Prokaryota Mycobacterium Tuberculosis Loewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MP Solid phase micro-extraction (SPME), GC/MS-MS no Eukaryota Piptoporus Betulinus na GC/MS no Eukaryota Trametes Suaveolens na GC/MS no